| Phytochemical Name : Danshensu |
| PCNDIDD0011 |
| Pubchem CID : 11600642 |
| Molecular formula: C9H10O5 |
| Canonical SMILES : C1=CC(=C(C=C1CC(C(=O)O)O)O)O |
Synonymes : Danshensu|76822-21-4|Salvianic acid A|Dan shen suan A|(R)-3-(3,4-Dihydroxyphenyl)-2-hydroxypropanoic acid|Salianic acid A|(2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid|UNII-4GF33A5PAJ|DS-182|4GF33A5PAJ|DTXSID60469215|Benzenepropanoic acid, alpha,3,4-trihydroxy-, (alphaR)-|(2R)-3-(3,4-dihydroxyphenyl)lactic acid|Benzenepropanoic acid, a,3,4-trihydroxy-, (aR)-|(R)-3-(3,4-dihydroxyphenyl)lactate|Dan shen suan A;Salvianic acid A|CHEMBL4218391|SCHEMBL18469325|CHEBI:71572|DTXCID70420034|BCP28285|HY-N1913|MFCD09750417|s4741|AKOS006328573|AC-7985|CCG-266569|CS-5614|NCGC00507734-01|AS-67314|C22038|r-(+)-beta-(3,4-dihydroxyphenyl)-lactic acid|A865407|W-203757|Q10395557|BENZENEPROPANOIC ACID, .ALPHA.,3,4-TRIHYDROXY-, (.ALPHA.R)-|(R)-a,3,4-Trihydroxybenzenepropanoic acid; 3-(3',4'-Dihydroxyphenyl)-(2R)-lactic acid; Dan shen suan A; Salvianic acid A;Danshensu |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.200 |
| Log Po/w (XLOGP3) : 4.660 |
| Log Po/w (WLOGP) : 4.420 |
| Log Po/w (MLOGP) : 5.650 |
| Log Po/w (SILICOS-IT) : 3.910 |
| Consensus Log Po/w : 4.370 |